tert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate

C18H24FN5O2 — CID 142740624

IUPACtert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate
SMILESCc1nc(/N=N/c2ccc(F)cc2)cn1CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H24FN5O2/c1-13-21-16(23-22-15-8-6-14(19)7-9-15)12-24(13)11-5-10-20-17(25)26-18(2,3)4/h6-9,12H,5,10-11H2,1-4H3,(H,20,25)/b23-22+
InChIKeySLTCDYWUPTTXAT-GHVJWSGMSA-N
MW361.42 g/mol
LogP4.66
Rot. Bonds6

About tert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate

tert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate (PubChem CID 142740624) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is tert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate
PubChem CID142740624
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC Nametert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate
SMILESCc1nc(/N=N/c2ccc(F)cc2)cn1CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H24FN5O2/c1-13-21-16(23-22-15-8-6-14(19)7-9-15)12-24(13)11-5-10-20-17(25)26-18(2,3)4/h6-9,12H,5,10-11H2,1-4H3,(H,20,25)/b23-22+
InChIKeySLTCDYWUPTTXAT-GHVJWSGMSA-N
XLogP4.66
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[3-[[N-[3-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
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methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate (CID 142740624) is tert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate is Cc1nc(/N=N/c2ccc(F)cc2)cn1CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate?
The InChIKey is SLTCDYWUPTTXAT-GHVJWSGMSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-13-21-16(23-22-15-8-6-14(19)7-9-15)12-24(13)11-5-10-20-17(25)26-18(2,3)4/h6-9,12H,5,10-11H2,1-4H3,(H,20,25)/b23-22+.
What are the key properties of tert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate?
tert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate has a molecular weight of 361.42 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-[(4-fluorophenyl)diazenyl]-2-methylimidazol-1-yl]propyl]carbamate is sourced from PubChem (CID 142740624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).